Spectrum KO002196 for N-Acetylmethionine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
XUYPXLNMDZIRQH-LURJTMIESA-N
C7H13NO3S
191.061614276
O=C(O)C(N=C(O)C)CCSC

Mass Spectral Metadata

NameValue
KO002196
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID A065
191.06161
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.419111322642665
0.6980079817069827
192
[M+H]+
362.41810416666925 ppm
-0.0695842760000005 Da